ethyl (3R,4S)-4-[bis(phenylmethyl)amino]-3-ethenyl-heptanoate

Systemtic Name: ethyl (3R,4S)-4-[bis(phenylmethyl)amino]-3-ethenyl-heptanoate Openeye Name: ethyl (3R,4S)-4-(dibenzylamino)-3-vinyl-heptanoate CAS Name: (3R,4S)-4-[bis(phenylmethyl)amino]-3-ethenylheptanoic acid ethyl ester IUPAC Name: ethyl (3R,4S)-4-(dibenzylamino)-3-ethenylheptanoate Traditional Name: (3R)-3-[(1S)-1-(dibenzylamino)butyl]pent-4-enoic acid ethyl ester Formula: C25H33NO2 MolecularWeight: 379.53502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(=O)OCC)C=C)N(CC1=CC=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

CCC[C@@H]([C@H](CC(=O)OCC)C=C)N(CC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C25H33NO2/c1-4-13-24(23(5-2)18-25(27)28-6-3)26(19-21-14-9-7-10-15-21)20-22-16-11-8-12-17-22/h5,7-12,14-17,23-24H,2,4,6,13,18-20H2,1,3H3/t23-,24-/m0/s1